Compound Detail
CHEMBL302531
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Basic Information
| ChEMBL ID | CHEMBL302531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKKDOWVHCTXUNP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.94
ALogP
4
HBA
1
HBD
43.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 220.0 | nM | 6.66 | In vitro inhibition of electrically induced contractions in isolated mouse vas d... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00560-G | Cannabinoid receptor | 1 |
| - | 10.1016/0960-894X(95)00560-G | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine